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BDBM50337457 CHEMBL1682696::N-(2-methoxy-5-methylbenzyl)-2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamide

SMILES: COc1ccc(C)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O

InChI Key: InChIKey=CLUDSWWOOHMGEC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50337457   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50337457
PNG
(CHEMBL1682696 | N-(2-methoxy-5-methylbenzyl)-2-(6-...)
Show SMILES COc1ccc(C)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O
Show InChI InChI=1S/C23H27N5O3/c1-16-7-8-20(31-3)18(12-16)14-26-21(29)15-28-17(2)13-27-22(23(28)30)25-11-9-19-6-4-5-10-24-19/h4-8,10,12-13H,9,11,14-15H2,1-3H3,(H,25,27)(H,26,29)
PDB

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Article
PubMed
 8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of thrombin

Bioorg Med Chem Lett 21: 1532-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.108
BindingDB Entry DOI: 10.7270/Q2ZS2WS2
More data for this
Ligand-Target Pair